4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide

C18H16N2O3 — CID 815034

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-2-6-14(7-3-12)19-18(23)13-4-8-15(9-5-13)20-16(21)10-11-17(20)22/h2-9H,10-11H2,1H3,(H,19,23)
InChIKeySCMJGYSDDVFMMS-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.90
Rot. Bonds3

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide (PubChem CID 815034) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide
PubChem CID815034
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-2-6-14(7-3-12)19-18(23)13-4-8-15(9-5-13)20-16(21)10-11-17(20)22/h2-9H,10-11H2,1H3,(H,19,23)
InChIKeySCMJGYSDDVFMMS-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide (CID 815034) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide?
The InChIKey is SCMJGYSDDVFMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-2-6-14(7-3-12)19-18(23)13-4-8-15(9-5-13)20-16(21)10-11-17(20)22/h2-9H,10-11H2,1H3,(H,19,23).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 815034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).